4-methylbenzenesulfonic acid; 1-(phenylmethyl)piperidin-3-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 1-(phenylmethyl)piperidin-3-ol Openeye Name: 1-benzylpiperidin-3-ol; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-(phenylmethyl)-3-piperidinol IUPAC Name: 1-benzylpiperidin-3-ol; 4-methylbenzenesulfonic acid Traditional Name: 1-benzylpiperidin-3-ol; tosylic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CN(C1)CC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(CN(C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C12H17NO.C7H8O3S/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6,12,14H,4,7-10H2;2-5H,1H3,(H,8,9,10)